3-[7-(3-carbamimidoylphenyl)naphthalen-2-yl]benzenecarboximidamide

C24H20N4 — CID 10338813

IUPAC3-[7-(3-carbamimidoylphenyl)naphthalen-2-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(-c2ccc3ccc(-c4cccc(/C(N)=N/[H])c4)cc3c2)c1
InChIInChI=1S/C24H20N4/c25-23(26)20-5-1-3-16(11-20)18-9-7-15-8-10-19(14-22(15)13-18)17-4-2-6-21(12-17)24(27)28/h1-14H,(H3,25,26)(H3,27,28)
InChIKeyNBKSUHAOHLMMNF-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.74
Rot. Bonds4

About 3-[7-(3-carbamimidoylphenyl)naphthalen-2-yl]benzenecarboximidamide

3-[7-(3-carbamimidoylphenyl)naphthalen-2-yl]benzenecarboximidamide (PubChem CID 10338813) has the molecular formula C24H20N4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[7-(3-carbamimidoylphenyl)naphthalen-2-yl]benzenecarboximidamide.

Molecular Properties

Compound Name3-[7-(3-carbamimidoylphenyl)naphthalen-2-yl]benzenecarboximidamide
PubChem CID10338813
Molecular FormulaC24H20N4
Molecular Weight364.45 g/mol
Exact Mass364.17
IUPAC Name3-[7-(3-carbamimidoylphenyl)naphthalen-2-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(-c2ccc3ccc(-c4cccc(/C(N)=N/[H])c4)cc3c2)c1
InChIInChI=1S/C24H20N4/c25-23(26)20-5-1-3-16(11-20)18-9-7-15-8-10-19(14-22(15)13-18)17-4-2-6-21(12-17)24(27)28/h1-14H,(H3,25,26)(H3,27,28)
InChIKeyNBKSUHAOHLMMNF-UHFFFAOYSA-N
XLogP4.74
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

7-[3-(4-carbamimidoylphenyl)phenyl]naphthalene-2-carboximidamide
CID 164611720
3-(4-chlorophenyl)benzenecarboximidamide
CID 6345111
3-(5-phenyl-1H-pyrrol-2-yl)benzenecarboximidamide
CID 89250354
3-[5-(4-carbamimidoylphenyl)furan-2-yl]benzenecarboximidamide;dihydrochloride
CID 11153113
3-sulfanylbenzenecarboximidamide
CID 69159686
4-(3-carbamimidoylphenyl)pyrimidine-2-carboximidamide
CID 11776427
2-[3-(4-carbamimidoyl-2-pyridinyl)phenyl]pyridine-4-carboximidamide;dihydrochloride
CID 90664992
pyrene-2-carboximidamide
CID 151524830
2-(3-carbamimidoylphenyl)-1H-indole-5-carboximidamide
CID 3010563
6,7-dibromonaphthalene-2-carboximidamide
CID 121232083
4-(3-cyanophenyl)benzenecarboximidamide
CID 6345365
benzenecarboximidamide;(4-phenylphenyl)methanamine
CID 145327292

Frequently Asked Questions

What is the IUPAC name of 3-[7-(3-carbamimidoylphenyl)naphthalen-2-yl]benzenecarboximidamide?
The IUPAC name of 3-[7-(3-carbamimidoylphenyl)naphthalen-2-yl]benzenecarboximidamide (CID 10338813) is 3-[7-(3-carbamimidoylphenyl)naphthalen-2-yl]benzenecarboximidamide.
What is the SMILES notation for 3-[7-(3-carbamimidoylphenyl)naphthalen-2-yl]benzenecarboximidamide?
The canonical SMILES for 3-[7-(3-carbamimidoylphenyl)naphthalen-2-yl]benzenecarboximidamide is [H]/N=C(\N)c1cccc(-c2ccc3ccc(-c4cccc(/C(N)=N/[H])c4)cc3c2)c1.
What is the InChIKey of 3-[7-(3-carbamimidoylphenyl)naphthalen-2-yl]benzenecarboximidamide?
The InChIKey is NBKSUHAOHLMMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4/c25-23(26)20-5-1-3-16(11-20)18-9-7-15-8-10-19(14-22(15)13-18)17-4-2-6-21(12-17)24(27)28/h1-14H,(H3,25,26)(H3,27,28).
What are the key properties of 3-[7-(3-carbamimidoylphenyl)naphthalen-2-yl]benzenecarboximidamide?
3-[7-(3-carbamimidoylphenyl)naphthalen-2-yl]benzenecarboximidamide has a molecular weight of 364.45 g/mol, XLogP of 4.74, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(3-carbamimidoylphenyl)naphthalen-2-yl]benzenecarboximidamide is sourced from PubChem (CID 10338813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).